ChemSpider 2D Image | (+)-(2R,4R,5R,8S)-4-deacetyl-5-hydroxy-botryenalol | C15H24O4

(+)-(2R,4R,5R,8S)-4-deacetyl-5-hydroxy-botryenalol

  • Molecular FormulaC15H24O4
  • Average mass268.349 Da
  • Monoisotopic mass268.167450 Da
  • ChemSpider ID77089228

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(+)-(2R,4R,5R,8S)-4-deacetyl-5-hydroxy-botryenalol
(3S,5R,7R,7aR)-7,7a-Dihydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2,3,5,6,7,7a-hexahydro-1H-inden-4-carbaldehyd [German] [ACD/IUPAC Name]
(3S,5R,7R,7aR)-7,7a-Dihydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2,3,5,6,7,7a-hexahydro-1H-indene-4-carbaldehyde [ACD/IUPAC Name]
(3S,5R,7R,7aR)-7,7a-Dihydroxy-3-(hydroxyméthyl)-1,1,3,5-tétraméthyl-2,3,5,6,7,7a-hexahydro-1H-indène-4-carbaldéhyde [French] [ACD/IUPAC Name]
1H-Indene-4-carboxaldehyde, 2,3,5,6,7,7a-hexahydro-7,7a-dihydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-, (3S,5R,7R,7aR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 412.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±6.0 kJ/mol
Flash Point: 217.5±25.2 °C
Index of Refraction: 1.555
Molar Refractivity: 71.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.27
ACD/KOC (pH 5.5): 157.93
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.27
ACD/KOC (pH 7.4): 157.93
Polar Surface Area: 78 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 223.5±5.0 cm3

Click to predict properties on the Chemicalize site


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